(Z)-1-(1,3-DIOXAN-2-YL)NON-6-EN-3-ONE

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key WDDXOWKFBRTFGR-ARJAWSKDSA-N
Smiles O=C(CCC=CCC)CCC1OCCCO1
InChI
InChI=1/C13H22O3/c1-2-3-4-5-7-12(14)8-9-13-15-10-6-11-16-13/h3-4,13H,2,5-11H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H22O3
Molecular Weight 226.16
AlogP 2.85
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 35.53
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 78078-51-0
NORMAN SUSDAT
PubChem 20846346
CONTENTS